ethyl 4-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: ethyl 4-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[2-(cyclohexylamino)-4-methyl-1-pyridin-1-iumyl]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyclohexylamino)-4-methylpyridin-1-ium-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[2-(cyclohexylamino)-4-methyl-pyridin-1-ium-1-carbonyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)[N+]2=C(C=C(C=C2)C)NC3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)[N+]2=C(C=C(C=C2)C)NC3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-3-27-21(26)23-12-10-17(11-13-23)20(25)24-14-9-16(2)15-19(24)22-18-7-5-4-6-8-18/h9,14-15,17-18H,3-8,10-13H2,1-2H3/p+1